Information card for entry 4515735

Structure parameters

• Formula: C32 H39 Cl4 N Ru S
• Calculated formula: C32 H39 Cl4 N Ru S
• SMILES: [Ru]1([S](c2c(C=1)cccc2)c1ccccc1)(Cl)(Cl)=C1N(c2c(CC)cccc2CC)C(CC1(C)C)(C)C.ClCCl
• Title of publication: Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand
• Authors of publication: Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 8182
• a: 19.868 ± 0.0007 Å
• b: 9.2131 ± 0.0003 Å
• c: 17.5258 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3208 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No